| /dports/science/bagel/bagel-1.2.2/src/smith/caspt2/ |
| H A D | MSCASPT2_deci2q.cc | 52 auto task473 = make_shared<Task473>(tensor473, pindex, this->e0_); in make_deci2q()
65 auto task475 = make_shared<Task475>(tensor475, pindex, this->e0_); in make_deci2q()
78 auto task477 = make_shared<Task477>(tensor477, pindex, this->e0_); in make_deci2q()
84 auto task478 = make_shared<Task478>(tensor478, pindex, this->e0_); in make_deci2q()
97 auto task480 = make_shared<Task480>(tensor480, pindex, this->e0_); in make_deci2q()
110 auto task482 = make_shared<Task482>(tensor482, pindex, this->e0_); in make_deci2q()
116 auto task483 = make_shared<Task483>(tensor483, pindex, this->e0_); in make_deci2q()
122 auto task484 = make_shared<Task484>(tensor484, pindex, this->e0_); in make_deci2q()
135 auto task486 = make_shared<Task486>(tensor486, pindex, this->e0_); in make_deci2q()
156 task488 = make_shared<Task488>(tensor488, pindex, this->e0_); in make_deci2q()
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| H A D | MSCASPT2_tasks10.h | 709 const double e0_; variable
774 const double e0_; variable
839 const double e0_; variable
869 const double e0_; variable
934 const double e0_; variable
999 const double e0_; variable
1029 const double e0_; variable
1059 const double e0_; variable
1124 const double e0_; variable
1183 const double e0_; variable
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| H A D | CASPT2.cc | 144 e0_ = e0all_[istate]; in solve()
268 e0_ = e0all_[i] - info_->shift(); in solve_linear()
298 e0_ = e0all_[i] - info_->shift(); in solve_linear()
351 e0_ = e0all_[i]; in solve_linear_orthogonal()
382 e0_ = e0all_[i]; in solve_linear_orthogonal()
492 e0_ = e0all_[i]; in solve_gradient()
599 e0_ = e0all_[i]; in solve_gradient()
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| H A D | MSCASPT2_tasks10.cc | 619 dscal_(x1.size()*c2.size()*x0.size()*c1.size(), e0_, i1data.get(), 1); in compute()
780 dscal_(x2.size()*c1.size()*x1.size()*x0.size(), e0_, i1data.get(), 1); in compute()
836 dscal_(x0.size()*c3.size()*a2.size()*c1.size(), e0_, i1data.get(), 1); in compute()
930 dscal_(x1.size()*c2.size()*a1.size()*x0.size(), e0_, i1data.get(), 1); in compute()
993 dscal_(x1.size()*c2.size()*a1.size()*x0.size(), e0_, i1data.get(), 1); in compute()
1023 dscal_(x1.size()*x0.size()*a2.size()*c1.size(), e0_, i1data.get(), 1); in compute()
1053 dscal_(x1.size()*x0.size()*a2.size()*c1.size(), e0_, i1data.get(), 1); in compute()
1123 dscal_(x2.size()*x1.size()*a1.size()*x0.size(), e0_, i1data.get(), 1); in compute()
1160 dscal_(a4.size()*c3.size()*a2.size()*c1.size(), e0_, i1data.get(), 1); in compute()
1194 dscal_(a4.size()*c3.size()*a2.size()*c1.size(), e0_, i1data.get(), 1); in compute()
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| H A D | CASPT2_residualq.cc | 58 auto task40 = make_shared<Task40>(tensor40, pindex, this->e0_); in make_residualq()
198 auto task60 = make_shared<Task60>(tensor60, pindex, this->e0_); in make_residualq()
417 auto task91 = make_shared<Task91>(tensor91, pindex, this->e0_); in make_residualq()
568 auto task113 = make_shared<Task113>(tensor113, pindex, this->e0_); in make_residualq()
588 auto task116 = make_shared<Task116>(tensor116, pindex, this->e0_); in make_residualq()
745 auto task138 = make_shared<Task138>(tensor138, pindex, this->e0_); in make_residualq()
850 auto task153 = make_shared<Task153>(tensor153, pindex, this->e0_); in make_residualq()
1176 auto task199 = make_shared<Task199>(tensor199, pindex, this->e0_); in make_residualq()
1244 auto task209 = make_shared<Task209>(tensor209, pindex, this->e0_); in make_residualq()
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| /dports/science/bagel/bagel-1.2.2/src/smith/casa/ |
| H A D | CASA.cc | 173 e0_ = e0all_[i] - info_->shift(); in solve_linear()
204 const double e0save = e0_; in solve_linear()
205 e0_ = e0all_[i] - e0all_[ist]; in solve_linear()
210 e0_ = e0save; in solve_linear()
244 double e0save = e0_; in update_amplitude_casa()
247 e0_ = e0all_[istate] - info_->shift(); in update_amplitude_casa()
252 e0_ = e0save; in update_amplitude_casa()
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | BMDIonicStepper.cpp | 37 em_ = e0_; in compute_r()
49 e0_ = e0; in compute_v()
55 if ( e0_ > em_ ) in compute_v()
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| H A D | BMDIonicStepper.h | 57 double e0_,em_; variable
66 e0_ = 0.0; in BMDIonicStepper()
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| /dports/science/bagel/bagel-1.2.2/src/smith/relcasa/ |
| H A D | RelCASA.cc | 200 e0_ = e0all_[i] - info_->shift(); in solve_linear()
233 const double e0save = e0_; in solve_linear()
234 e0_ = e0all_[i] - e0all_[ist]; in solve_linear()
239 e0_ = e0save; in solve_linear()
292 double e0save = e0_; in update_amplitude_casa()
295 e0_ = e0all_[istate] - info_->shift(); in update_amplitude_casa()
300 e0_ = e0save; in update_amplitude_casa()
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| /dports/science/py-OpenMC/openmc-0.12.2/include/openmc/ |
| H A D | distribution.h | 143 Muir(double e0, double m_rat, double kt) : e0_{e0}, m_rat_{m_rat}, kt_{kt} { }; in Muir()
150 double e0() const { return e0_; } in e0()
157 double e0_; //!< mean neutron energy [eV]
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| /dports/science/openmc/openmc-0.12.2/include/openmc/ |
| H A D | distribution.h | 143 Muir(double e0, double m_rat, double kt) : e0_{e0}, m_rat_{m_rat}, kt_{kt} { }; in Muir()
150 double e0() const { return e0_; } in e0()
157 double e0_; //!< mean neutron energy [eV]
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| /dports/graphics/openshadinglanguage/OpenShadingLanguage-Release-1.11.15.0/src/liboslexec/ |
| H A D | llvm_ops.cpp | 588 OSL_SHADEOP void osl_smoothstep_dfffdf(void *result, float e0_, float e1_, void *x_) in osl_smoothstep_dfffdf() argument
590 Dual2<float> e0 (e0_); in osl_smoothstep_dfffdf()
597 OSL_SHADEOP void osl_smoothstep_dffdff(void *result, float e0_, void* e1_, float x_) in osl_smoothstep_dffdff() argument
599 Dual2<float> e0 (e0_); in osl_smoothstep_dffdff()
606 OSL_SHADEOP void osl_smoothstep_dffdfdf(void *result, float e0_, void* e1_, void* x_) in osl_smoothstep_dffdfdf() argument
608 Dual2<float> e0 (e0_); in osl_smoothstep_dffdfdf()
615 OSL_SHADEOP void osl_smoothstep_dfdfff(void *result, void* e0_, float e1_, float x_) in osl_smoothstep_dfdfff() argument
617 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdfff()
626 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdffdf()
635 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdfdff()
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| /dports/graphics/py-openshadinglanguage/OpenShadingLanguage-Release-1.11.15.0/src/liboslexec/ |
| H A D | llvm_ops.cpp | 588 OSL_SHADEOP void osl_smoothstep_dfffdf(void *result, float e0_, float e1_, void *x_) in osl_smoothstep_dfffdf() argument
590 Dual2<float> e0 (e0_); in osl_smoothstep_dfffdf()
597 OSL_SHADEOP void osl_smoothstep_dffdff(void *result, float e0_, void* e1_, float x_) in osl_smoothstep_dffdff() argument
599 Dual2<float> e0 (e0_); in osl_smoothstep_dffdff()
606 OSL_SHADEOP void osl_smoothstep_dffdfdf(void *result, float e0_, void* e1_, void* x_) in osl_smoothstep_dffdfdf() argument
608 Dual2<float> e0 (e0_); in osl_smoothstep_dffdfdf()
615 OSL_SHADEOP void osl_smoothstep_dfdfff(void *result, void* e0_, float e1_, float x_) in osl_smoothstep_dfdfff() argument
617 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdfff()
626 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdffdf()
635 Dual2<float> e0 = DFLOAT(e0_); in osl_smoothstep_dfdfdff()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/WFOpt/ |
| H A D | CostFunctionCrowdData.h | 57 Return_rt& get_e0() { return e0_; } in get_e0()
80 Return_rt e0_; variable
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| H A D | CostFunctionCrowdData.cpp | 24 : e0_(0.0), e2_(0.0), wgt_(0.0), wgt2_(0.0) in CostFunctionCrowdData()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | taylor.h | 59 double e0_; variable
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| H A D | taylor.cc | 67 e0_ = keyval->doublevalue("e0"); in TaylorMolecularEnergy()
213 double e = e0_; in compute()
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| /dports/science/bagel/bagel-1.2.2/src/smith/ |
| H A D | spinfreebase_update.cpp | 53 const double e0loc = e0all_[ist] - e0_; in update_amplitude()
132 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("xx", ist, j02) + eig_[j3] + eig_[j1])); in update_amplitude()
200 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("x", ist, j0) + eig_[j3] - eig_[j2] + eig_[j1])); in update_amplitude()
264 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("h", ist, j3) - eig_[j2] + eig_[j1] - eig_[j0])); in update_amplitude()
324 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("hh", ist, j13) - eig_[j2] - eig_[j0])); in update_amplitude()
394 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("xh", ist, j23) + eig_[j1] - eig_[j0])); in update_amplitude()
452 … interm[iall] /= min(-0.1, e0_ - (denom_->denom("xh", ist, j23) + eig_[j1] - eig_[j0])); in update_amplitude()
517 interm[iall] /= min(-0.1, e0_ - (denom_->denom("xxh", ist, j123) + eig_[j1])); in update_amplitude()
582 interm[iall] /= min(-0.1, e0_ - (denom_->denom("xhh", ist, j013) - eig_[j2])); in update_amplitude()
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| H A D | spinfreebase.h | 65 double e0_; variable
145 double e0() const { return e0_; } in e0()
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| H A D | diagonal.cc | 52 const double e0loc = sum - (diag ? e0_ : 0.0); in diagonal()
95 const complex<double> e0loc = sum - (diag ? e0_ : 0.0); in diagonal()
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| /dports/science/bagel/bagel-1.2.2/src/smith/mrci/ |
| H A D | MRCI.cc | 99 e0_ = e0all_[i]; in solve()
191 e0_ = e0all_[i]; in solve()
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| /dports/science/py-OpenMC/openmc-0.12.2/src/ |
| H A D | distribution.cpp | 150 e0_ = params.at(0); in Muir()
157 return muir_spectrum(e0_, m_rat_, kt_, seed); in sample()
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| /dports/science/openmc/openmc-0.12.2/src/ |
| H A D | distribution.cpp | 150 e0_ = params.at(0); in Muir()
157 return muir_spectrum(e0_, m_rat_, kt_, seed); in sample()
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| /dports/science/bagel/bagel-1.2.2/src/smith/relmrci/ |
| H A D | RelMRCI.cc | 103 e0_ = e0all_[i]; in solve()
195 e0_ = e0all_[i]; in solve()
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| /dports/science/bagel/bagel-1.2.2/src/smith/relcaspt2/ |
| H A D | RelCASPT2_residualq.cc | 58 auto task33 = make_shared<Task33>(tensor33, pindex, this->e0_); in make_residualq()
198 auto task53 = make_shared<Task53>(tensor53, pindex, this->e0_); in make_residualq()
417 auto task84 = make_shared<Task84>(tensor84, pindex, this->e0_); in make_residualq()
568 auto task106 = make_shared<Task106>(tensor106, pindex, this->e0_); in make_residualq()
588 auto task109 = make_shared<Task109>(tensor109, pindex, this->e0_); in make_residualq()
745 auto task131 = make_shared<Task131>(tensor131, pindex, this->e0_); in make_residualq()
850 auto task146 = make_shared<Task146>(tensor146, pindex, this->e0_); in make_residualq()
1176 auto task192 = make_shared<Task192>(tensor192, pindex, this->e0_); in make_residualq()
1244 auto task202 = make_shared<Task202>(tensor202, pindex, this->e0_); in make_residualq()
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